Information card for entry 2000201

Structure parameters

• Formula: C18 H19 N O2 S
• Calculated formula: C18 H19 N O2 S
• SMILES: CN(CCCOC(=O)c1cc2ccccc2c2c1scc2)C
• Title of publication: Structures of 1-(3,3-dimethylamino)propyl naphtho[2,1-<i>b</i>]thiophene-4-carboxylate and <i>N</i>-(3,3-dimethylamino)propyl-8-methoxynaphtho[2,1-<i>b</i>]thiophene-4-carboxamide, intercalators into double-helical DNA
• Authors of publication: McKenna, R.; Neidle, S.; Wilson, W. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 2511 - 2513
• a: 11.503 ± 0.003 Å
• b: 15.932 ± 0.002 Å
• c: 9.133 ± 0.002 Å
• α: 90°
• β: 102.17 ± 0.02°
• γ: 90°
• Cell volume: 1636.2 ± 0.6 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No